7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C25H28F2N8O — CID 16679349

IUPAC7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESNc1nc(N(CCN2CCN(c3ccc(F)cc3F)CC2)CC2CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30)
InChIKeyUUUUCFGJWJWDEN-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.28
Rot. Bonds8

About 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 16679349) has the molecular formula C25H28F2N8O and a molecular weight of 494.55 g/mol. Its IUPAC name is 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID16679349
Molecular FormulaC25H28F2N8O
Molecular Weight494.55 g/mol
Exact Mass494.24
IUPAC Name7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESNc1nc(N(CCN2CCN(c3ccc(F)cc3F)CC2)CC2CC2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30)
InChIKeyUUUUCFGJWJWDEN-UHFFFAOYSA-N
XLogP3.28
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 16679349) is 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is Nc1nc(N(CCN2CCN(c3ccc(F)cc3F)CC2)CC2CC2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is UUUUCFGJWJWDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30).
What are the key properties of 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 494.55 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(cyclopropylmethyl)-7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 16679349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).